[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone

C12H12N4OS — CID 126853348

IUPAC[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(Nc2cccnn2)C1
InChIInChI=1S/C12H12N4OS/c17-12(9-3-5-18-8-9)16-6-10(7-16)14-11-2-1-4-13-15-11/h1-5,8,10H,6-7H2,(H,14,15)
InChIKeyWMIMIIRFQDVAEH-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.47
Rot. Bonds3

About [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone

[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 126853348) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
PubChem CID126853348
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC(Nc2cccnn2)C1
InChIInChI=1S/C12H12N4OS/c17-12(9-3-5-18-8-9)16-6-10(7-16)14-11-2-1-4-13-15-11/h1-5,8,10H,6-7H2,(H,14,15)
InChIKeyWMIMIIRFQDVAEH-UHFFFAOYSA-N
XLogP1.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone (CID 126853348) is [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC(Nc2cccnn2)C1.
What is the InChIKey of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is WMIMIIRFQDVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(9-3-5-18-8-9)16-6-10(7-16)14-11-2-1-4-13-15-11/h1-5,8,10H,6-7H2,(H,14,15).
What are the key properties of [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone?
[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 260.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 126853348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).